C

Carbon

Element	Configuration	Total Energy
C	\(1s^2 2s^2 2p^2\)	-37.424374

Kinetic Energy

Kohn-Sham	Thomas-Fermi	von Weizsacker
31.409329	-	21.484412

Eigenvalues

\(f_{nl}\)	\(n\)	\(l\)	\(\varepsilon_{nl}\)
2.0	\(1\)	\(0\)	-9.94755204
2.0	\(2\)	\(0\)	-0.50080608
2.0	\(2\)	\(1\)	-0.19914393

external potential, \(v_{\rm ext}\), v_ext
Hartree potential, \(v_{\rm H}\), v_h
Hartree-xc potential, \(v_{\rm Hxc}\), v_hxc
Kinetic energy density, \(\tau_{\rm s}\), tau
Pauli potential, \(v_\theta\), vtheta

Non-self-consistent kinetic energy

Density	Hartree-Fock
Basis	Slater-type functions
Integration grid	Double exponential
Fractional occupation	Yes
Units	Hartree atomic units

Configuration

\(1s^2 2s^2 2p^2\)

Kinetic Energy

Functional	Spin-polarized	Spin-unpolarized
ref	37.6886189600000	37.6886189600000
TsKS	37.6886194371319	37.6886194371319
TF	33.9182431831409	33.6489165139248
W	32.0812018918995	31.9422210277154
GEA2	37.4828211711298	37.1980521836709
GEA4	38.2427053924353	37.9425764366542
TFW	65.9994450750404	65.5911375416402
TF5W	40.3344835615208	40.0373607194679
P82	36.1634666708205	35.8862123020982
DK87	37.1494917631050	36.8600219252634
LLP	37.4644777532336	37.1952751935615
OL1	37.8329008864705	37.5474191715610
OL2	37.7291903242686	37.4426235369131
P92	37.4898810019726	37.2050818031309
T92	37.6087291825505	37.3448361176861
LC94	37.5526923044975	37.2817206767935
LP97	38.5606355163026	38.2544460869036
VJKS00	35.9668853509530	35.7666218146179
E00	38.0986554831145	37.7767488372010
TW02	37.5209275778472	37.2577867392708
PBE2	65.0847531149541	64.8718353497101
PBE4	51.0026190269936	50.9159166358989
MGGA	37.7753810101948	37.2827586130741
GDS08	35.5867040930243	35.3358442439480
RDA	37.9168011498442	37.6226190211209
APBEK	37.5775803685292	37.3149229689321
revAPBEK	37.8420149098671	37.5769070718813
VT84F	62.5989650842566	62.1462741889338
L04	38.2462716500224	38.0042733862674
L06	38.2153355180164	37.9358060719376
revMGGA	42.0571381198333	41.7202215831172
revMGGAloc	39.1028639461100	38.7392832166085
TFLreg	37.9363599308887	37.6097581372374
LGAPGE	38.2673125616772	37.9710848133490
LGAP	37.7667703643030	37.5009528496869
MVT84F	35.4871898950336	35.1305070612302

Disclaimer:

To the best of our knowledge, the information contained herein is accurate and reliable as of the date of publication; however, we do not assume any liability whatsoever for the accuracy and completeness of the above information.